element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:31:05      -10.302045        1.0796
BFGS:    1 15:31:05      -10.315772        0.7395
BFGS:    2 15:31:05      -10.325086        0.0473
BFGS:    3 15:31:05      -10.325127        0.0019
BFGS:    4 15:31:05      -10.325127        0.0000
BFGS:    5 15:31:05      -10.325127        0.0000
Minimization converged after 5 steps.
Maximum force component: 5.56784840455293e-10 eV/Angstrom
Maximum stress component: 2.8457603893548687e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.6794041 ]
 [0.66666666 0.33333334 0.1794041 ]
 [0.66666666 0.33333334 0.3205959 ]
 [0.33333333 0.66666667 0.8205959 ]]
cellpar =  Cell([[2.5257999999999843, 4.737628723488611e-31, 1.206095281700884e-40], [-1.2628999999999921, 2.187406964878721, 2.2215069194913532e-38], [9.932506762548726e-37, -1.2595084877735345e-36, 8.558448920726637]])
forces =  [[-2.41616555e-42 -1.04634029e-42  5.56784840e-10]
 [-1.35906485e-42 -7.84775705e-43  5.56784840e-10]
 [ 1.35906485e-42  7.84775705e-43 -5.56784840e-10]
 [ 2.41616555e-42  1.04634029e-42 -5.56784840e-10]]
stress =  [ 3.38555326e-43  3.38555326e-43  2.84576039e-11  8.77825348e-44
  6.58114734e-44 -8.39894811e-59]
energy per atom =  -2.581281707946287
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0